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CHEBI:206251 - Vertihemipterin A

ChEBI IDCHEBI:206251
ChEBI NameVertihemipterin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H43ClO10
Net Charge0
Average Mass599.117
Monoisotopic Mass598.25448
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H](C[C@@]2(C)[C@H](C)CCC(=O)[C@@H]2C)/C(C)=C/Cc2c(O)c(Cl)c(C)c(C=O)c2O)O[C@@H]1CO
InChIInChI=1S/C30H43ClO10/c1-14(7-9-18-24(35)19(12-32)16(3)23(31)25(18)36)21(11-30(5)15(2)8-10-20(34)17(30)4)40-29-27(38)26(37)28(39-6)22(13-33)41-29/h7,12,15,17,21-22,26-29,33,35-38H,8-11,13H2,1-6H3/b14-7+/t15-,17+,21-,22-,26-,27-,28-,29-,30+/m1/s1
InChIKeyQINPQFODEODUKM-USILLHITSA-N
Species of MetaboliteComponentSourceComments
[Torrubiella hemipterigena (ncbitaxon:1531966) - PubMed (15032480)
ChEBI Ontology
Outgoing Relation(s)
Vertihemipterin A (CHEBI:206251) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
5-chloro-3-[(E,4R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]-2,4-dihydroxy-6-methylbenzaldehyde
Manual XrefsDatabases
8184284ChemSpider